1-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-4-bromanyl-indole-2,3-dione

Systemtic Name: 1-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-4-bromanyl-indole-2,3-dione Openeye Name: 1-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-4-bromo-indoline-2,3-dione CAS Name: 1-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]methyl]-4-bromoindole-2,3-dione IUPAC Name: 1-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-4-bromoindole-2,3-dione Traditional Name: 1-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]methyl]-4-bromo-isatin Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CN4C5=C(C(=CC=C5)Br)C(=O)C4=O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CN4C5=C(C(=CC=C5)Br)C(=O)C4=O

InChI

InChI=1S/C22H21BrN4O2S/c1-14(21-24-16-6-2-3-8-18(16)30-21)26-11-9-25(10-12-26)13-27-17-7-4-5-15(23)19(17)20(28)22(27)29/h2-8,14H,9-13H2,1H3